3-methyl-2-(2-phenylethanoylamino)-3-sulfanyl-butanoic acid

Systemtic Name: 3-methyl-2-(2-phenylethanoylamino)-3-sulfanyl-butanoic acid Openeye Name: 3-methyl-2-[(2-phenylacetyl)amino]-3-sulfanyl-butanoic acid CAS Name: 3-mercapto-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid IUPAC Name: 3-methyl-2-[(2-phenylacetyl)amino]-3-sulfanylbutanoic acid Traditional Name: 3-mercapto-3-methyl-2-[(2-phenylacetyl)amino]butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)CC1=CC=CC=C1)S

Isomeric SMILES

CC(C)(C(C(=O)O)NC(=O)CC1=CC=CC=C1)S

InChI

InChI=1S/C13H17NO3S/c1-13(2,18)11(12(16)17)14-10(15)8-9-6-4-3-5-7-9/h3-7,11,18H,8H2,1-2H3,(H,14,15)(H,16,17)